2,3,5,6-tetrahydronaphthalen-1-ylmethanimine

C11H13N — CID 143317251

IUPAC2,3,5,6-tetrahydronaphthalen-1-ylmethanimine
SMILES[H]/N=C/C1=C2C=CCCC2=CCC1
InChIInChI=1S/C11H13N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h2,5,7-8,12H,1,3-4,6H2/b12-8+
InChIKeyRSVTZXZAJQMIJN-XYOKQWHBSA-N
MW159.23 g/mol
LogP3.00
Rot. Bonds1

About 2,3,5,6-tetrahydronaphthalen-1-ylmethanimine

2,3,5,6-tetrahydronaphthalen-1-ylmethanimine (PubChem CID 143317251) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 2,3,5,6-tetrahydronaphthalen-1-ylmethanimine.

Molecular Properties

Compound Name2,3,5,6-tetrahydronaphthalen-1-ylmethanimine
PubChem CID143317251
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name2,3,5,6-tetrahydronaphthalen-1-ylmethanimine
SMILES[H]/N=C/C1=C2C=CCCC2=CCC1
InChIInChI=1S/C11H13N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h2,5,7-8,12H,1,3-4,6H2/b12-8+
InChIKeyRSVTZXZAJQMIJN-XYOKQWHBSA-N
XLogP3.00
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2,3,5,6-tetrahydronaphthalen-1-ylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrahydronaphthalen-1-ylmethanimine?
The IUPAC name of 2,3,5,6-tetrahydronaphthalen-1-ylmethanimine (CID 143317251) is 2,3,5,6-tetrahydronaphthalen-1-ylmethanimine.
What is the SMILES notation for 2,3,5,6-tetrahydronaphthalen-1-ylmethanimine?
The canonical SMILES for 2,3,5,6-tetrahydronaphthalen-1-ylmethanimine is [H]/N=C/C1=C2C=CCCC2=CCC1.
What is the InChIKey of 2,3,5,6-tetrahydronaphthalen-1-ylmethanimine?
The InChIKey is RSVTZXZAJQMIJN-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H13N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h2,5,7-8,12H,1,3-4,6H2/b12-8+.
What are the key properties of 2,3,5,6-tetrahydronaphthalen-1-ylmethanimine?
2,3,5,6-tetrahydronaphthalen-1-ylmethanimine has a molecular weight of 159.23 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrahydronaphthalen-1-ylmethanimine is sourced from PubChem (CID 143317251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).